1-[5-(cyclobutylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol

C18H34N2O — CID 112541490

IUPAC1-[5-(cyclobutylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol
SMILESCCC(O)C1CC(NCC2CCC2)CN(C2CC(C)C2)C1
InChIInChI=1S/C18H34N2O/c1-3-18(21)15-9-16(19-10-14-5-4-6-14)12-20(11-15)17-7-13(2)8-17/h13-19,21H,3-12H2,1-2H3
InChIKeyJLROSASVSIFBAB-UHFFFAOYSA-N
MW294.48 g/mol
LogP2.64
Rot. Bonds6

About 1-[5-(cyclobutylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol

1-[5-(cyclobutylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol (PubChem CID 112541490) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-[5-(cyclobutylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name1-[5-(cyclobutylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol
PubChem CID112541490
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name1-[5-(cyclobutylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol
SMILESCCC(O)C1CC(NCC2CCC2)CN(C2CC(C)C2)C1
InChIInChI=1S/C18H34N2O/c1-3-18(21)15-9-16(19-10-14-5-4-6-14)12-20(11-15)17-7-13(2)8-17/h13-19,21H,3-12H2,1-2H3
InChIKeyJLROSASVSIFBAB-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(cyclopropylmethylamino)-1-(2-methylcyclobutyl)piperidin-3-yl]propan-1-ol
CID 83996673
1-[1-(cyclobutylmethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]propan-1-ol
CID 83996736
1-[5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol
CID 83997701
N-(cyclobutylmethyl)-5-(cyclopropylmethyl)-1-(3-methylcyclobutyl)piperidin-3-amine
CID 83997348
1-[1-cyclohexyl-5-(cyclopropylmethylamino)piperidin-3-yl]ethanol
CID 83996635
1-cyclobutyl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine
CID 83997328
2-[5-(cyclopropylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]ethanol
CID 83996660
1-[1-cyclopropyl-5-(propylamino)piperidin-3-yl]propan-1-ol
CID 83991148
3-(cyclopentylmethylamino)-5-(1-hydroxypropyl)piperidine-1-carboxamide
CID 83997808
3-[5-(cyclohexylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol
CID 83998736
N-(cyclopentylmethyl)-1-(3-methylcyclobutyl)piperidin-3-amine
CID 83998037
1-[1-cyclopropyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]propan-1-ol
CID 83995239

Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclobutylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol?
The IUPAC name of 1-[5-(cyclobutylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol (CID 112541490) is 1-[5-(cyclobutylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 1-[5-(cyclobutylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol?
The canonical SMILES for 1-[5-(cyclobutylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol is CCC(O)C1CC(NCC2CCC2)CN(C2CC(C)C2)C1.
What is the InChIKey of 1-[5-(cyclobutylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol?
The InChIKey is JLROSASVSIFBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-3-18(21)15-9-16(19-10-14-5-4-6-14)12-20(11-15)17-7-13(2)8-17/h13-19,21H,3-12H2,1-2H3.
What are the key properties of 1-[5-(cyclobutylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol?
1-[5-(cyclobutylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol has a molecular weight of 294.48 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclobutylmethylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 112541490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).